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trans-tert-butyl 3-hydroxycyclobutylcarbamate - 97%, high purity , CAS No.389890-42-0

COA

Grade & Purity:

≥97%

Cas Number: 389890-42-0
Molecular Weight: 187.239
PubChem CID: 22594430
PubChem SID: 504769252

In stock

Item Number

T176352

Grouped product items
SKU	Size	Availability	Price
T176352-250mg	250mg	4	$14.90
T176352-1g	1g	2	$49.90
T176352-5g	5g	1	$180.90
T176352-10g	10g	1	$301.90
T176352-25g	25g	1	$678.90

Basic Description

Synonyms	154748-63-7 \| 389890-43-1 \| 389890-42-0 \| TERT-BUTYL 3-HYDROXYCYCLOBUTYLCARBAMATE \| tert-Butyl (3-hydroxycyclobutyl)carbamate \| trans-tert-butyl 3-hydroxycyclobutylcarbamate \| cis-tert-butyl 3-hydroxycyclobutylcarbamate \| tert-Butyl (cis-3-hydroxycyclobutyl)carbamate \| t
Specifications & Purity	≥97%
Storage Temp	Room temperature,Argon charged
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Amino acids and derivatives
        Level6 Carbamic acids and derivatives
        Level7 Carbamate esters

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Amino acids and derivatives - Carbamic acids and derivatives
Direct Parent	Carbamate esters
Alternative Parents	Secondary alcohols Organic carbonic acids and derivatives Cyclic alcohols and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Carbamic acid ester - Secondary alcohol - Carbonic acid derivative - Cyclobutanol - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as carbamate esters. These are compounds containing an ester of carbamic acid with the general structure R2NC(=O)OR' (R' not H). They are esters of carbamic acids.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504769252
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504769252
IUPAC Name	tert-butyl N-(3-hydroxycyclobutyl)carbamate
INCHI	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKey	WSUMHFNEPOYLJM-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)NC1CC(C1)O
Isomeric SMILES	CC(C)(C)OC(=O)NC1CC(C1)O
Molecular Weight	187.239
Reaxy-Rn	14194347
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14194347&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
F23061695	Certificate of Analysis	Apr 26, 2023	T176352
F23061713	Certificate of Analysis	Apr 26, 2023	T176352
F23061651	Certificate of Analysis	Apr 26, 2023	T176352
F23061650	Certificate of Analysis	Apr 26, 2023	T176352
F23061740	Certificate of Analysis	Apr 26, 2023	T176352
F23061694	Certificate of Analysis	Apr 26, 2023	T176352
F23061708	Certificate of Analysis	Apr 26, 2023	T176352
F23061742	Certificate of Analysis	Apr 26, 2023	T176352
F23061764	Certificate of Analysis	Apr 26, 2023	T176352
F23061666	Certificate of Analysis	Apr 26, 2023	T176352

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	187.240 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	187.121 Da
Monoisotopic Mass	187.121 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	192.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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